6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen

C12H24N4 — CID 142978119

IUPAC6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen
SMILESCN1CCNCc2cccc(n2)CNCC1.[H][H].[H][H]
InChIInChI=1S/C12H20N4.2H2/c1-16-7-5-13-9-11-3-2-4-12(15-11)10-14-6-8-16;;/h2-4,13-14H,5-10H2,1H3;2*1H
InChIKeyFKYGROUETLDKDD-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.70
Rot. Bonds

About 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen

6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen (PubChem CID 142978119) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen
PubChem CID142978119
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen
SMILESCN1CCNCc2cccc(n2)CNCC1.[H][H].[H][H]
InChIInChI=1S/C12H20N4.2H2/c1-16-7-5-13-9-11-3-2-4-12(15-11)10-14-6-8-16;;/h2-4,13-14H,5-10H2,1H3;2*1H
InChIKeyFKYGROUETLDKDD-UHFFFAOYSA-N
XLogP0.70
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen with MolForge

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Related Compounds

3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
CID 56616203
6-benzyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 15069690
1,9,12,17-tetrazatricyclo[10.2.2.13,7]heptadeca-3,5,7(17)-trien-13-one
CID 137393075
3-[[4-(3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(22),8,10,12(24),19(23),20-hexaen-3-ylmethyl)phenyl]methyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(22),8,10,12(24),19(23),20-hexaene;octahydrobromide
CID 86751731
1,9,12,17-tetrazatricyclo[10.2.2.13,7]heptadeca-3,5,7(17)-trien-14-one
CID 137393074
3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene;trichloroiron
CID 11395537
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
N'-(pyridin-4-ylmethyl)-N-[2-(3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)ethyl]propane-1,3-diamine
CID 170362720
9-methyl-3,6,9,12,15,21-hexazatetracyclo[15.3.1.13,6.112,15]tricosa-1(21),4,13,17,19-pentaene
CID 177497845
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
alumane;1-methylpiperazine
CID 173336720

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen?
The IUPAC name of 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen (CID 142978119) is 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen.
What is the SMILES notation for 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen?
The canonical SMILES for 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen is CN1CCNCc2cccc(n2)CNCC1.[H][H].[H][H].
What is the InChIKey of 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen?
The InChIKey is FKYGROUETLDKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.2H2/c1-16-7-5-13-9-11-3-2-4-12(15-11)10-14-6-8-16;;/h2-4,13-14H,5-10H2,1H3;2*1H.
What are the key properties of 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen?
6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen has a molecular weight of 224.35 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen is sourced from PubChem (CID 142978119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).